SCHEMBL9953848

SCHEMBL9953848

COc1c(CCNc2ncnc3[nH]cnc23)cc(Cl)c(C)c1C1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.43
SRC P12931 4/20 0.34
JAK2 O60674 1/20 0.34
TNK2 Q07912 1/20 0.34
ALK Q9UM73 1/20 0.34
PDE5A O76074 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDR P35968 5/20 0.32
EPHA2 P29317 2/20 0.32
EPHB4 P54760 2/20 0.32
ERBB2 P04626 1/20 0.32
EGFR P00533 6/20 0.32
CSK P41240 1/20 0.31
TEK Q02763 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9952295 0.90 PIK3CD (0.38) PIK3CDPDE5AMAPTTSHRHTT
SCHEMBL9953231 0.88 PIK3CD (0.36) PIK3CDPDE5AMAPTTSHRHTT
SCHEMBL9952257 0.85 PIK3CD (0.33) PIK3CDPDE5AMAPTTSHRHTT
SCHEMBL9960484 0.84 PIK3CD (0.35) PIK3CDTSHRHTTSMN1; SMN2HSD17B10
Trifluoroacetic Acid SCHEMBL9953716 0.84 PIK3CD (0.36) PIK3CDPDE5A
SCHEMBL9952961 0.83 PIK3CD (0.45) PIK3CDPDE5AMAPTTSHRHTT
SCHEMBL9953251 0.81 PIK3CD (0.33) PIK3CDALKPDE5AMAPTTSHR
Trifluoroacetic Acid SCHEMBL9953150 0.81 PIK3CD (0.33) PIK3CDPDE5AMAPTTSHRHTT
SCHEMBL9929059 0.80 PIK3CD (0.57) PIK3CDSRCEGFR
SCHEMBL9952900 0.80 PIK3CD (0.34) PIK3CDMAPTTSHRHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527848-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-12-27 US disclosed
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2015-10-08 US disclosed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PIK3CD 2/4885SRC 675/4885JAK2 196/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.